[phenixbb] Input NCS operators for AutoBuild
Thomas C. Terwilliger
terwilliger at lanl.gov
Wed May 5 10:12:52 PDT 2010
Yes, simple_ncs_from_pdb.ncs_spec is in the right format for autobuild.
The .resolve file has the format for direct input to resolve, and as you
noted the .ncs is for direct input to phenix.refine. I'm sorry for the
lack of clarity!
>> This questions may be best answered by Tom.
>> Does anyone know how to generate a custom NCS definition file that
>> AutoBuild will read from the refinement format? The parameter is
>> input_ncs_file =
>> I used phenix.simple_ncs_from_pdb to generate 3 ncs format files. But I
>> could not figure out how to make the program use my definitions. In any
>> case simple_ncs_from_pdb outputs 3 formats in ./phenix/tmp:
>> I tried the last one, but it has no residue or chain specification.
>> Should I use the .ncs_spec? The first one is for phenix.refine.
>> Thanks, Mark
>> Mark A. Saper, Ph.D.
>> Associate Professor of Biological Chemistry
>> University of Michigan
>> Biophysics, 3040 Chemistry Building
>> 930 N University Ave
>> Ann Arbor MI 48109-1055 U.S.A.
>> saper at umich.edu phone (734) 764-3353 fax (734) 764-3323
>> http://www.biochem.med.umich.edu/?q=saper http://www.strucbio.umich.edu/
>> phenixbb mailing list
>> phenixbb at phenix-online.org
More information about the phenixbb